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31232

Sigma-Aldrich

Iron(III) chloride hexahydrate

puriss. p.a., reag. Ph. Eur., ≥99%

Synonym(s):
Ferric chloride hexahydrate
Linear Formula:
FeCl3 · 6H2O
CAS Number:
Molecular Weight:
270.30
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

agency

USP/NF
reag. Ph. Eur.

vapor pressure

1 mmHg ( 194 °C)

grade

puriss. p.a.

assay

≥99%

form

solid

impurities

≤0.001% free chlorine (Cl)
≤0.001% total nitrogen (N)
≤0.05% sub.not precip.b.NH4OH(SO4)
≤0.2% free acid (as HCl)

bp

280-285 °C (lit.)

mp

37 °C (lit.)

anion traces

phosphate (PO43-): ≤100 mg/kg
sulfate (SO42-): ≤50 mg/kg

cation traces

As: ≤5 mg/kg
Cu: ≤20 mg/kg
Fe2+: ≤50 mg/kg
Pb: ≤20 mg/kg
Zn: ≤20 mg/kg

SMILES string

O.O.O.O.O.O.Cl[Fe](Cl)Cl

InChI

1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3

InChI key

NQXWGWZJXJUMQB-UHFFFAOYSA-K

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General description

Iron(III) chloride hexahydrate can be obtained from crystallization of iron(III) chloride from water. Its crystal structure has been studied using three-dimensional single-crystal X-ray-diffraction data. Its crystals have two chloride ions and four water molecules arranged around each ferric ion to form octahedral trans-[FeCl2(OH2)4]+ ions having C2h-2/m symmetry.

Application

Iron(III) chloride hexahydrate may be employed as an oxidant for the following conversions:
  • Synthesis of 2-substituted 4(3H)-quinazolinones (yield = 77-93%), via condensation of aldehydes with anthranilamide.
  • Oxidation of 1,4-dihydropyridines (1,4-DHPs) to corresponding pyridines.
  • Oxidation of 4-isopropyl-1,4-DHP to dealkylated pyridine.

Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Met. Corr. 1 - Skin Irrit. 2

Storage Class Code

8B - Non-combustible, corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

Certificate of Origin

Benign and efficient synthesis of 2-substituted 4(3H)-quinazolinones mediated by iron (III) chloride hexahydrate in refluxing water.
Wang G-W, et al.
Bulletin of the Chemical Society of Japan, 79(9), 1426-1430 (2006)
Ferric chloride hexahydrate: a convenient reagent for the oxidation of hantzsch 1, 4-dihydropyridines.
Lu J, et al.
Synthetic Communications, 31(17), 2625-2630 (2001)
Crystal structure of ferric chloride hexahydrate.
Lind MD.
J. Chem. Phys., 47(3), 990-993 (1967)
Chenglong Yuan et al.
International journal of molecular sciences, 20(3) (2019-02-13)
The prion protein (PrPSc) has drawn widespread attention due to its pathological potential to cause prion diseases. Herein, we successfully synthesized Fe₃C@C by carbonizing Fe₃O₄-lignin clusters, which were prepared through a facile hydrogen bonding interaction between ≡Fe-OH and hydroxyl groups
Sanjay Kashyap et al.
ACS nano, 8(9), 9097-9106 (2014-08-28)
Biomineralization proteins are widely used as templating agents in biomimetic synthesis of a variety of organic-inorganic nanostructures. However, the role of the protein in controlling the nucleation and growth of biomimetic particles is not well understood, because the mechanism of

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